World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
40
Citations
24868
World Ranking
17822
National Ranking
973

Overview

David P. Tew is affiliated with the University of Oxford in the United Kingdom. Their research primarily falls within the field of Physics and Astronomy, with a focus on specialized subfields including Atomic and Molecular Physics, and Optics, Artificial Intelligence, Spectroscopy, Materials Chemistry, and Atmospheric Science.

Their work encompasses a range of main topics, notably Advanced Chemical Physics Studies, Quantum Computing Algorithms and Architecture, Quantum and electron transport phenomena, Quantum Information and Cryptography, Molecular spectroscopy and chirality, Machine Learning in Materials Science, and Molecular Spectroscopy and Structure.

Recent publications by David P. Tew include:

  • "TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations" (2020) published in The Journal of Chemical Physics
  • "TURBOMOLE: Today and Tomorrow" (2023) published in Journal of Chemical Theory and Computation
  • "Exact electronic states with shallow quantum circuits from global optimisation" (2023) published in npj Quantum Information
  • "Grid-based methods for chemistry simulations on a quantum computer" (2023) published in Science Advances
  • "Basis set extrapolation in pair natural orbital theories" (2020) published in The Journal of Chemical Physics

Frequent co-authors working alongside David P. Tew include Hugh G. A. Burton, Daniel Marti-Dafcik, Kesha Sorathia, Hans Hon Sang Chan, and Guntram Rauhut.

The scientist frequently publishes in several well-known venues, with multiple publications appearing in arXiv (Cornell University), The Journal of Chemical Physics, Faraday Discussions, Zenodo (CERN European Organization for Nuclear Research), and Journal of Chemical Theory and Computation.

Best Publications

  • A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

    Takeshi Yanai;David P Tew;Nicholas C Handy

  • The Dalton quantum chemistry program system

    Kestutis Aidas;Celestino Angeli;Keld L. Bak;Vebjørn Bakken

  • TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

    Sree Ganesh Balasubramani;Guo P. Chen;Sonia Coriani;Michael Diedenhofen

  • Explicitly correlated electrons in molecules.

    Christof Hättig;Wim Klopper;Andreas Köhn;David P. Tew

  • Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12

    Christof Hättig;David P. Tew;Andreas Köhn

  • Quintuple-ζ quality coupled-cluster correlation energies with triple-ζ basis sets

    David P. Tew;Wim Klopper;Christian Neiss;Christof Hättig

  • Quantitative quantum chemistry

    Trygve Helgaker;Wim Klopper;David P. Tew

  • New correlation factors for explicitly correlated electronic wave functions

    David P. Tew;Wim Klopper

  • Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theory

    Miriam Heckert;Mihaly Kallay;David P Tew;Wim Klopper

  • Mechanism-based inactivation of horseradish peroxidase by sodium azide. Formation of meso-azidoprotoporphyrin IX

    Paul R. Ortiz de Montellano;Shantha K. David;Mark A. Ator;David Tew

  • Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface.

    Yimin Wang;Bastiaan J. Braams;Joel M. Bowman;Stuart Carter

  • Criegee Intermediate Reactions with Carboxylic Acids: A Potential Source of Secondary Organic Aerosol in the Atmosphere

    Rabi Chhantyal-Pun;Brandon Rotavera;Max R. McGillen;M. Anwar H. Khan

  • Electron correlation: the many-body problem at the heart of chemistry.

    David P. Tew;Wim Klopper;Trygve Helgaker

  • A diagonal orbital-invariant explicitly-correlated coupled-cluster method

    David P. Tew;Wim Klopper;Christof Hättig

  • Explicitly correlated PNO-MP2 and PNO-CCSD and their application to the S66 set and large molecular systems

    Gunnar Schmitz;Christof Hättig;David P. Tew

  • The MP2-F12 method in the Turbomole program package.

    Rafał A. Bachorz;Florian A. Bischoff;Andreas Glöß;Christof Hättig

  • Basis set limit CCSD(T) harmonic vibrational frequencies

    David P. Tew;Wim Klopper;Miriam Heckert;Juergen Gauss

  • Atomization energies from coupled-cluster calculations augmented with explicitly-correlated perturbation theory

    Wim Klopper;Branko Ruscic;David P. Tew;Florian A. Bischoff

  • Local explicitly correlated second- and third-order Møller–Plesset perturbation theory with pair natural orbitals

    David P. Tew;Benjamin Helmich;Christof Hättig

  • Implementation of the full explicitly correlated coupled-cluster singles and doubles model CCSD-F12 with optimally reduced auxiliary basis dependence.

    Andreas Köhn;Gareth W. Richings;David P. Tew

  • Explicitly Correlated Coupled-Cluster Theory

    David P. Tew;Christof Hättig;Rafał A. Bachorz;Wim Klopper

Frequent Co-Authors

Anthony C. Legon
Anthony C. Legon University of Bristol
Wim Klopper
Wim Klopper Karlsruhe Institute of Technology
Christof Hättig
Christof Hättig Ruhr University Bochum
Jeremy L. O'Brien
Jeremy L. O'Brien University of Bristol
Mark G. Thompson
Mark G. Thompson University of Bristol
Nathan Wiebe
Nathan Wiebe University of Toronto
Nicholas C. Handy
Nicholas C. Handy University of Cambridge
Andrew J. Orr-Ewing
Andrew J. Orr-Ewing University of Bristol
Trygve Helgaker
Trygve Helgaker University of Oslo

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